2-(3,5-dimethoxyphenyl)-1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,5-dimethoxyphenyl)-1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
2-(3,5-dimethoxyphenyl)-1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1261 |
| Compound Name: | 2-(3,5-dimethoxyphenyl)-1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 426.53 |
| Molecular Formula: | C20 H30 N2 O6 S |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)S(C)(=O)=O)C(Cc1cc(cc(c1)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2092 |
| logD: | 1.2092 |
| logSw: | -2.0296 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.24 |
| InChI Key: | IFZYZSPXABWUFE-OXQOHEQNSA-N |